Chemical Properties of Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester

Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester

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InChI
InChI=1S/C26H34O4/c1-7-9-14-23(16-19(3)4)29-25(27)21-12-11-13-22(18-21)26(28)30-24(15-10-8-2)17-20(5)6/h11-13,18-20,23-24H,7-8,16-17H2,1-6H3
InChI Key
XIRGDMCTUKOLGX-UHFFFAOYSA-N
Formula
C26H34O4
SMILES
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=O)OC(C#CCC)CC(C)C)c1
Molecular Weight1
410.55
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Physical Properties

Property Value Unit Source
Δf 198.82 kJ/mol Joback Calculated Property
Δfgas -321.03 kJ/mol Joback Calculated Property
Δfus 54.47 kJ/mol Joback Calculated Property
Δvap 97.47 kJ/mol Joback Calculated Property
log10WS -7.98 Crippen Calculated Property
logPoct/wat 5.656 Crippen Calculated Property
McVol 351.120 ml/mol McGowan Calculated Property
Pc 1145.99 kPa Joback Calculated Property
Inp 2781.00 NIST
Tboil 994.76 K Joback Calculated Property
Tc 1226.93 K Joback Calculated Property
Tfus 718.24 K Joback Calculated Property
Vc 1.331 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1131.91; 1200.79] J/mol×K [994.76; 1226.93] Show Hide
Cp,gas 1131.91 J/mol×K 994.76 Joback Calculated Property
Cp,gas 1147.21 J/mol×K 1033.46 Joback Calculated Property
Cp,gas 1160.92 J/mol×K 1072.15 Joback Calculated Property
Cp,gas 1173.09 J/mol×K 1110.85 Joback Calculated Property
Cp,gas 1183.77 J/mol×K 1149.54 Joback Calculated Property
Cp,gas 1192.98 J/mol×K 1188.24 Joback Calculated Property
Cp,gas 1200.79 J/mol×K 1226.93 Joback Calculated Property

Similar Compounds

Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester. Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester. m-Toluic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl octyl ester. Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester. Isophthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester.

Sources

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